六种自然存在的尼古丁类药物的气相质子位点
Yuika Okura1, Garrett D Santis2, Keisuke Hirata1,3
1Department of Chemistry, School of Science, Tokyo Institute of Technology, 2-12-1 4259 Ookayama, Meguro-ku, Tokyo 152855, Japan.
研究人员在生理温度下确定了六种天然尼古丁类物质的气相质子位点. 质子化部位影响生物活动,在肌胺 (MYO) 中观察到不同的结构.
科学领域:
- 化学物理 化学物理
- 频谱学是一种光谱学.
- 计算化学计算化学
背景情况:
- 尼古丁类药物是天然存在的类药物,具有多种生物活性.
- 了解它们的质子化位点对于阐明它们的化学行为和生物功能至关重要.
- 质子化部位对生物活动的影响是研究的一个关键领域.
研究的目的:
- 在生理温度下确定六种自然存在的尼古丁类化合物的气相质子位点.
- 为了研究质子位点与尼古丁类药物的生物活性之间的关系.
- 描述原尼古丁类药物之间的结构差异.
主要方法:
- 低温离子陷红外光谱学被用来探测质子化地点.
- 使用电子结构计算来支持实验发现.
- 测量紫外线吸收光谱以确认结构性质.
主要成果:
- 对尼古丁 (NIC),诺尼古丁 (NOR),阿纳巴辛 (ANB),阿纳塔丁 (ANT),丁 (COT) 和肌胺 (MYO) 进行了鉴定.
- 尼古丁以pyridine和pyrrolidine原体的混合物存在,而NOR,ANB,ANT和COT主要是pyridine原体.
- 氨酸主要是一种氨酸原体,由于其合的π系统,呈现出近平面结构,与其他尼古丁类固醇不同.
结论:
- 质子化部位显著影响尼古丁类药物的生物活性.
- 在质子尼古丁类药物中存在不同的结构构造,特别是myosmine.
- 这项研究为天然存在的尼古丁类药物的气相化学和结构性质提供了基本的见解.
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